%chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/fenamidone/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization fenamidone CONF8 water 0 1 S -0.8786929875 -2.3810587021 -1.4389642761 O 0.1725681731 1.9481634635 0.6910698857 N -0.4790942954 0.0380996893 -0.4060754481 N 1.0596290566 -1.4687814650 0.2316826025 N -1.5945094017 0.4580513087 -1.0587302759 C 1.3932640102 -0.1998155985 0.8846458961 C 0.3215330992 0.7807278293 0.4183515762 C 2.7460217904 0.3074532167 0.4131892020 C 1.2711463901 -0.3634262351 2.3953506058 C 0.0122416472 -1.2639940474 -0.4591106141 C 3.6382599836 0.9320212614 1.2778366346 C 3.0889818318 0.1912342514 -0.9337103657 C -2.7608540534 0.6563512278 -0.3084597201 C 4.8530915096 1.4189250195 0.8104758326 C 4.2983470266 0.6818663762 -1.4006836150 C 5.1882817145 1.2959221126 -0.5287111724 C -3.7469627872 1.4936891209 -0.8274187629 C -2.9869745889 -0.0108137354 0.8924274585 C 0.0920159770 -3.8759163536 -1.1668176891 C -4.9470414928 1.6534130044 -0.1549761403 C -4.1934326822 0.1624214491 1.5568564036 C -5.1820202303 0.9877513121 1.0411240375 H 0.2854473050 -0.7550479963 2.6485224942 H 1.3928552656 0.5857853965 2.9149378854 H 2.0216408217 -1.0613920773 2.7643500303 H 3.4042515097 1.0431071725 2.3275254077 H 2.4144463087 -0.2863886018 -1.6333713788 H -1.3987988407 1.1677362059 -1.7539393451 H 5.5370014903 1.8946943616 1.5010417458 H 4.5469513974 0.5805907489 -2.4489806956 H 6.1343964943 1.6748318821 -0.8920581991 H -3.5719637935 2.0199820442 -1.7582286319 H -2.2404187077 -0.6672570879 1.3216638089 H -0.4019295956 -4.6605455923 -1.7364688509 H 0.1006970156 -4.1572857248 -0.1173052449 H 1.1080547690 -3.7621277748 -1.5350282783 H -5.7017384025 2.3082313003 -0.5708017884 H -4.3569824209 -0.3635211580 2.4883011714 H -6.1204967699 1.1125996977 1.5637407003 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/fenamidone/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction fenamidone CONF8 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/fenamidone/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum fenamidone CONF8 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/fenamidone/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point fenamidone CONF8 water 0 1